1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane

C10H18O — CID 15441964

IUPAC1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)CC12CCCCC1O2
InChIInChI=1S/C10H18O/c1-8(2)7-10-6-4-3-5-9(10)11-10/h8-9H,3-7H2,1-2H3
InChIKeyIKWHTCIJTGWRIH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane

1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 15441964) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID15441964
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)CC12CCCCC1O2
InChIInChI=1S/C10H18O/c1-8(2)7-10-6-4-3-5-9(10)11-10/h8-9H,3-7H2,1-2H3
InChIKeyIKWHTCIJTGWRIH-UHFFFAOYSA-N
XLogP2.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane (CID 15441964) is 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane is CC(C)CC12CCCCC1O2.
What is the InChIKey of 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is IKWHTCIJTGWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)7-10-6-4-3-5-9(10)11-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane?
1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 15441964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).